N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide

C18H25N3O4 — CID 156584920

IUPACN-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1C[C@H](C(=O)NCC2CCOCC2)C[C@@H]1O)c1ccncc1
InChIInChI=1S/C18H25N3O4/c22-16-10-14(17(23)20-11-12-3-7-25-8-4-12)9-15(16)21-18(24)13-1-5-19-6-2-13/h1-2,5-6,12,14-16,22H,3-4,7-11H2,(H,20,23)(H,21,24)/t14-,15-,16-/m0/s1
InChIKeyULHUYBCEFGATEP-JYJNAYRXSA-N
MW347.42 g/mol
LogP0.49
Rot. Bonds5

About N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide

N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide (PubChem CID 156584920) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
PubChem CID156584920
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1C[C@H](C(=O)NCC2CCOCC2)C[C@@H]1O)c1ccncc1
InChIInChI=1S/C18H25N3O4/c22-16-10-14(17(23)20-11-12-3-7-25-8-4-12)9-15(16)21-18(24)13-1-5-19-6-2-13/h1-2,5-6,12,14-16,22H,3-4,7-11H2,(H,20,23)(H,21,24)/t14-,15-,16-/m0/s1
InChIKeyULHUYBCEFGATEP-JYJNAYRXSA-N
XLogP0.49
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]-1H-indole-5-carboxamide
CID 156586986
N-[(1R,2R,4S)-2-methoxy-4-(oxan-4-ylcarbamoyl)cyclohexyl]pyridine-4-carboxamide
CID 155917786
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
4-(pyridine-4-carbonylamino)oxolane-3-carboxylic acid
CID 66222895
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 75536789
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 154802873
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide
CID 110125810
N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
N-[(2R,3R,6R)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide
CID 54641199

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide (CID 156584920) is N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide is O=C(N[C@H]1C[C@H](C(=O)NCC2CCOCC2)C[C@@H]1O)c1ccncc1.
What is the InChIKey of N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The InChIKey is ULHUYBCEFGATEP-JYJNAYRXSA-N. The full InChI is InChI=1S/C18H25N3O4/c22-16-10-14(17(23)20-11-12-3-7-25-8-4-12)9-15(16)21-18(24)13-1-5-19-6-2-13/h1-2,5-6,12,14-16,22H,3-4,7-11H2,(H,20,23)(H,21,24)/t14-,15-,16-/m0/s1.
What are the key properties of N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-2-hydroxy-4-(oxan-4-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 156584920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).